2-[tert-butyl(dimethyl)silyl]oxy-N-(2,5-dioxo-7-oxabicyclo[4.1.0]heptan-3-yl)benzamide

C19H25NO5Si — CID 91389050

IUPAC2-[tert-butyl(dimethyl)silyl]oxy-N-(2,5-dioxo-7-oxabicyclo[4.1.0]heptan-3-yl)benzamide
SMILESCC(C)(C)[Si](C)(C)Oc1ccccc1C(=O)NC1CC(=O)C2OC2C1=O
InChIInChI=1S/C19H25NO5Si/c1-19(2,3)26(4,5)25-14-9-7-6-8-11(14)18(23)20-12-10-13(21)16-17(24-16)15(12)22/h6-9,12,16-17H,10H2,1-5H3,(H,20,23)
InChIKeyCRDVXAFTNLWXCM-UHFFFAOYSA-N
MW375.50 g/mol
LogP2.48
Rot. Bonds4

About 2-[tert-butyl(dimethyl)silyl]oxy-N-(2,5-dioxo-7-oxabicyclo[4.1.0]heptan-3-yl)benzamide

2-[tert-butyl(dimethyl)silyl]oxy-N-(2,5-dioxo-7-oxabicyclo[4.1.0]heptan-3-yl)benzamide (PubChem CID 91389050) has the molecular formula C19H25NO5Si and a molecular weight of 375.50 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxy-N-(2,5-dioxo-7-oxabicyclo[4.1.0]heptan-3-yl)benzamide.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]oxy-N-(2,5-dioxo-7-oxabicyclo[4.1.0]heptan-3-yl)benzamide
PubChem CID91389050
Molecular FormulaC19H25NO5Si
Molecular Weight375.50 g/mol
Exact Mass375.15
IUPAC Name2-[tert-butyl(dimethyl)silyl]oxy-N-(2,5-dioxo-7-oxabicyclo[4.1.0]heptan-3-yl)benzamide
SMILESCC(C)(C)[Si](C)(C)Oc1ccccc1C(=O)NC1CC(=O)C2OC2C1=O
InChIInChI=1S/C19H25NO5Si/c1-19(2,3)26(4,5)25-14-9-7-6-8-11(14)18(23)20-12-10-13(21)16-17(24-16)15(12)22/h6-9,12,16-17H,10H2,1-5H3,(H,20,23)
InChIKeyCRDVXAFTNLWXCM-UHFFFAOYSA-N
XLogP2.48
TPSA85.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.50
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-N-(2,5-dioxo-7-oxabicyclo[4.1.0]heptan-3-yl)benzamide?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-N-(2,5-dioxo-7-oxabicyclo[4.1.0]heptan-3-yl)benzamide (CID 91389050) is 2-[tert-butyl(dimethyl)silyl]oxy-N-(2,5-dioxo-7-oxabicyclo[4.1.0]heptan-3-yl)benzamide.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxy-N-(2,5-dioxo-7-oxabicyclo[4.1.0]heptan-3-yl)benzamide?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxy-N-(2,5-dioxo-7-oxabicyclo[4.1.0]heptan-3-yl)benzamide is CC(C)(C)[Si](C)(C)Oc1ccccc1C(=O)NC1CC(=O)C2OC2C1=O.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxy-N-(2,5-dioxo-7-oxabicyclo[4.1.0]heptan-3-yl)benzamide?
The InChIKey is CRDVXAFTNLWXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO5Si/c1-19(2,3)26(4,5)25-14-9-7-6-8-11(14)18(23)20-12-10-13(21)16-17(24-16)15(12)22/h6-9,12,16-17H,10H2,1-5H3,(H,20,23).
What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxy-N-(2,5-dioxo-7-oxabicyclo[4.1.0]heptan-3-yl)benzamide?
2-[tert-butyl(dimethyl)silyl]oxy-N-(2,5-dioxo-7-oxabicyclo[4.1.0]heptan-3-yl)benzamide has a molecular weight of 375.50 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]oxy-N-(2,5-dioxo-7-oxabicyclo[4.1.0]heptan-3-yl)benzamide is sourced from PubChem (CID 91389050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).